SCHEMBL5067425

SCHEMBL5067425

CCCCOP(OCl)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
LMNA P02545 1/20 0.30
ATM Q13315 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3899065 0.95 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL11615347 0.90 THRB (0.38) ALDH1A1TSHRCA1CA2
SCHEMBL9329827 0.90 THRB (0.38) ALDH1A1TSHRCA1CA2
SCHEMBL9329868 0.90 THRB (0.38) ALDH1A1TSHRCA1CA2
SCHEMBL7068263 0.87 CA1 (0.33) TSHRCA1CA2HCAR2
SCHEMBL11416118 0.85 THRB (0.38) ALDH1A1TSHRCA1CA2
SCHEMBL11208522 0.85 THRB (0.38) ALDH1A1TSHRCA1CA2
SCHEMBL8650965 0.83 ALDH1A1 (0.43) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL5068846 0.83 ALDH1A1 (0.36) ALDH1A1TP53
SCHEMBL9719492 0.83 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4242479-A CATALYST OF ALUMINUM TRIHALIDE, ORGANOSILOXANE COMPOUND OR ETHER, MAGNESIUM ALCOHOLATE, TITANIUM-HALOGEN AND ORGANOALUMINUM COMPOUNDS SHOWA YUKA KABUSHIKI KAISHA (JP) 1980-12-30 US claimed
CN-112028936-A Purification method of methyl phosphonous acid dialkyl ester 河北威远生物化工有限公司 2020-12-04 CN disclosed
EP-1882694-B1 OLIGOMERS AND POLYMERS OF THIOPHENE COMPOUNDS HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-04-03 EP disclosed
EP-1882694-A1 THIOPHENE COMPOUND HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-01-30 EP disclosed
EP-1318155-B1 Novel asymmetric phosphine ligand TAKASAGO PERFUMERY CO LTD (JP) 2005-03-23 EP disclosed
WO-2005014670-A2 METHOD FOR PREPARING CATALYST PRECURSOR CONTAINING PHOSPHATES/PHOSPHITES REAGENTS INNOVENE EUROPE LIMITED (GB) 2005-02-17 WO disclosed
EP-1502924-A1 High activity catalysts for the polymerisation of ethylene prepared with phosphates/phosphites reagents BP LAVERA SNC (FR) 2005-02-02 EP disclosed
US-6624320-B2 Phosphorane compound hydrogenation catalyts; stereospecific; catalyst selectivity TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-09-23 US disclosed
US-20030144138-A1 NOVEL ASYMMETRIC PHOSPHINE LIGAND TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-31 US disclosed
EP-1318155-A1 Novel asymmetric phosphine ligand Takasago International Corporation (JP) 2003-06-11 EP disclosed
US-4242479-A CATALYST OF ALUMINUM TRIHALIDE, ORGANOSILOXANE COMPOUND OR ETHER, MAGNESIUM ALCOHOLATE, TITANIUM-HALOGEN AND ORGANOALUMINUM COMPOUNDS SHOWA YUKA KABUSHIKI KAISHA (JP) 1980-12-30 US disclosed
US-4028481-A ACTIVATED TITANIUM TRICHLORIDE AND AN ORGANOALUMINUM COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1977-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030144138-A1 NOVEL ASYMMETRIC PHOSPHINE LIGAND PHOSPHO1, PLCG2, PLCB3 ADRB2 775/4885ADRB1 1110/4885ADRB3 1970/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.